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2'-Ethoxyacetophenone

CAT: 0127-OR0052-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR0052-01Size:5 g
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CAS Number
2142-67-8
Synonyms
1- (2-Ethoxyphenyl) ethan-1-one, 2-Acetylphenetole
MDL Number
MFCD00017262
Purity
97%
Smiles
CCOc1ccccc1C(=O)C

Chemical Information

1-(2-Ethoxyphenyl)ethan-1-one
CAS Number2142-67-8
PubChem CID578482
IUPAC Name1-(2-ethoxyphenyl)ethanone
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CCOC1=CC=CC=C1C(=O)C
InChI
InChI=1S/C10H12O2/c1-3-12-10-7-5-4-6-9(10)8(2)11/h4-7H,3H2,1-2H3
InChIKey
TVGMOUGXQYQZOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Ethoxyphenyl)ethan-1-one
CAS: 2142-67-8
CID: 578482
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes